U3K
Summary
| Name: | ~{N}-methyl-~{N}-[(5-methylfuran-2-yl)methyl]-1-phenyl-methanamine |
| Formula: | C14 H17 N O |
| Formal charge: | 0 |
| Formula weight: | 215.291 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | ~{N}-methyl-~{N}-[(5-methylfuran-2-yl)methyl]-1-phenyl-methanamine |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C14H17NO/c1-12-8-9-14(16-12)11-15(2)10-13-6-4-3-5-7-13/h3-9H,10-11H2,1-2H3 |
| InChIKey | InChI | 1.03 | PLXKOSIEYNAHBU-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CN(Cc1oc(C)cc1)Cc2ccccc2 |
| SMILES | CACTVS | 3.385 | CN(Cc1oc(C)cc1)Cc2ccccc2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | Cc1ccc(o1)CN(C)Cc2ccccc2 |
| SMILES | OpenEye OEToolkits | 2.0.7 | Cc1ccc(o1)CN(C)Cc2ccccc2 |
